Geometry & MOs

Info

ID:	370186
PubChem CID:	127337662
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	397.227789
ΔH_f, kcal/mol:	28.48
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclobutyl-(4-fluorophenyl)methyl]-3-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]urea

Drug info:

PubChemData

Smile

CN(C1CCCN(C1)C2=NN=CC=C2)C(=O)NC(C3CCC3)C4=CC=CC=C4

DOS

IR

Vibrations